Iron in the structure of Alteration of Axial Coordination By Protein Engineering In Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant (pdb 1mni)

The binding sites of Iron atom in the structure of Alteration of Axial Coordination By Protein Engineering In Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant (pdb code 1mni). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1mni structure was solved by S.KRZYWDA, A.J.WILKINSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:

Resolution (A)

10.0-2.1

Space group

I21

a (A)

124.490

b (A)

42.280

c (A)

92.270

alpha (°)

90.00

beta (°)

92.62

gamma (°)

90.00

Rfactor (%)

n/a

Rfree (%)

n/a

Iron Binding Sites:

Iron binding site 1 out of 2 in 1mni

Click to enlarge

Click to enlarge

Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1mni. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His68, A: His93, A: Hem154,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His68

2.31

Fe

ND1 A:His68

4.24

Fe

CD2 A:His68

3.05

Fe

CE1 A:His68

3.29

Fe

CG A:His68

4.17

Fe

NE2 A:His93

2.27

Fe

ND1 A:His93

4.22

Fe

CD2 A:His93

3.34

Fe

CE1 A:His93

3.07

Fe

CG A:His93

4.35

Fe

C2D A:Hem154

4.23

Fe

NC A:Hem154

1.98

Fe

CHB A:Hem154

3.46

Fe

CHC A:Hem154

3.41

Fe

C3D A:Hem154

4.21

Fe

NA A:Hem154

2.00

Fe

CHA A:Hem154

3.43

Fe

C2A A:Hem154

4.22

Fe

C1D A:Hem154

3.00

Fe

C4A A:Hem154

3.03

Fe

C4B A:Hem154

3.03

Fe

C3A A:Hem154

4.22

Fe

C4C A:Hem154

3.01

Fe

C2B A:Hem154

4.31

Fe

C1C A:Hem154

3.07

Fe

C2C A:Hem154

4.26

Fe

ND A:Hem154

1.99

Fe

CHD A:Hem154

3.39

Fe

C1B A:Hem154

3.09

Fe

NB A:Hem154

2.04

Fe

FE A:Hem154

0.00

Fe

C3C A:Hem154

4.24

Fe

C3B A:Hem154

4.27

Fe

C4D A:Hem154

3.03

Fe

C1A A:Hem154

3.02

interactive model:

Iron binding site 2 out of 2 in 1mni

Click to enlarge

Click to enlarge

Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1mni. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: B: His68, B: His93, B: Hem154,